5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide

C12H15ClF3N3OS — CID 120811317

IUPAC5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C12H15ClF3N3OS/c13-10-2-1-8(21-10)11(20)18-7-9(12(14,15)16)19-5-3-17-4-6-19/h1-2,9,17H,3-7H2,(H,18,20)
InChIKeyUQYJOYJBCXGMCG-UHFFFAOYSA-N
MW341.79 g/mol
LogP1.97
Rot. Bonds4

About 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide

5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 120811317) has the molecular formula C12H15ClF3N3OS and a molecular weight of 341.79 g/mol. Its IUPAC name is 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
PubChem CID120811317
Molecular FormulaC12H15ClF3N3OS
Molecular Weight341.79 g/mol
Exact Mass341.06
IUPAC Name5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C12H15ClF3N3OS/c13-10-2-1-8(21-10)11(20)18-7-9(12(14,15)16)19-5-3-17-4-6-19/h1-2,9,17H,3-7H2,(H,18,20)
InChIKeyUQYJOYJBCXGMCG-UHFFFAOYSA-N
XLogP1.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide (CID 120811317) is 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is UQYJOYJBCXGMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3OS/c13-10-2-1-8(21-10)11(20)18-7-9(12(14,15)16)19-5-3-17-4-6-19/h1-2,9,17H,3-7H2,(H,18,20).
What are the key properties of 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide?
5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 341.79 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 120811317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).